2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C19H18FN5O2 — CID 118969658

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1nc(-c2ccn(Cc3ccccc3F)n2)nc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C19H18FN5O2/c1-19(2)14-16(23-18(19)26)21-15(22-17(14)27-3)13-8-9-25(24-13)10-11-6-4-5-7-12(11)20/h4-9H,10H2,1-3H3,(H,21,22,23,26)
InChIKeyGAWNOPXQGZPIJF-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.77
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118969658) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118969658
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1nc(-c2ccn(Cc3ccccc3F)n2)nc2c1C(C)(C)C(=O)N2
InChIInChI=1S/C19H18FN5O2/c1-19(2)14-16(23-18(19)26)21-15(22-17(14)27-3)13-8-9-25(24-13)10-11-6-4-5-7-12(11)20/h4-9H,10H2,1-3H3,(H,21,22,23,26)
InChIKeyGAWNOPXQGZPIJF-UHFFFAOYSA-N
XLogP2.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4,5,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118969741
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285704
4-chloro-5-fluoro-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-6-methoxypyrimidine
CID 141427956
[2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-4-yl] carbonochloridate
CID 118902734
4-bromo-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 134562375
5-cyclopropylimino-9-[1-[(2-fluorophenyl)methyl]-5-methoxypyrazol-3-yl]-4-methyl-2,6,8,10-tetrazatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-3-one
CID 166648401
4-bromo-2-[3-[(2-fluorophenyl)methyl]-4-methoxypyrazol-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 118962269
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N-(2-methoxyethyl)-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 130319600
5-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methylsulfinylpyrimidine
CID 90722088
2-[5-acetyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-amino-5-methyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 118233378
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfonylpyrimidin-4-amine
CID 91337023
4-amino-2-[3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 46223957

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118969658) is 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is COc1nc(-c2ccn(Cc3ccccc3F)n2)nc2c1C(C)(C)C(=O)N2.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is GAWNOPXQGZPIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-19(2)14-16(23-18(19)26)21-15(22-17(14)27-3)13-8-9-25(24-13)10-11-6-4-5-7-12(11)20/h4-9H,10H2,1-3H3,(H,21,22,23,26).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 367.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118969658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).